2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

C18H19N3O2S — CID 5069808

IUPAC2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NCc2ccccn2)C1=O
InChIInChI=1S/C18H19N3O2S/c1-2-15-18(23)21(14-8-3-4-9-16(14)24-15)12-17(22)20-11-13-7-5-6-10-19-13/h3-10,15H,2,11-12H2,1H3,(H,20,22)
InChIKeyZJHFRNGTJPGLGV-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.62
Rot. Bonds5

About 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 5069808) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID5069808
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NCc2ccccn2)C1=O
InChIInChI=1S/C18H19N3O2S/c1-2-15-18(23)21(14-8-3-4-9-16(14)24-15)12-17(22)20-11-13-7-5-6-10-19-13/h3-10,15H,2,11-12H2,1H3,(H,20,22)
InChIKeyZJHFRNGTJPGLGV-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 5069808) is 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is CCC1Sc2ccccc2N(CC(=O)NCc2ccccn2)C1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZJHFRNGTJPGLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-15-18(23)21(14-8-3-4-9-16(14)24-15)12-17(22)20-11-13-7-5-6-10-19-13/h3-10,15H,2,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 5069808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).